methyl 2-(5-ethenylfuran-2-yl)propanoate

C10H12O3 — CID 58973597

IUPACmethyl 2-(5-ethenylfuran-2-yl)propanoate
SMILESC=Cc1ccc(C(C)C(=O)OC)o1
InChIInChI=1S/C10H12O3/c1-4-8-5-6-9(13-8)7(2)10(11)12-3/h4-7H,1H2,2-3H3
InChIKeyKJKPIVDZBQTDFL-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.20
Rot. Bonds3

About methyl 2-(5-ethenylfuran-2-yl)propanoate

methyl 2-(5-ethenylfuran-2-yl)propanoate (PubChem CID 58973597) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 2-(5-ethenylfuran-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-ethenylfuran-2-yl)propanoate
PubChem CID58973597
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 2-(5-ethenylfuran-2-yl)propanoate
SMILESC=Cc1ccc(C(C)C(=O)OC)o1
InChIInChI=1S/C10H12O3/c1-4-8-5-6-9(13-8)7(2)10(11)12-3/h4-7H,1H2,2-3H3
InChIKeyKJKPIVDZBQTDFL-UHFFFAOYSA-N
XLogP2.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5-ethenylfuran-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(1,2-oxazol-5-yl)propanoate
CID 90936290
methyl 2-methylpropanoate;prop-2-enoic acid;styrene
CID 174972609
methyl 2-[4-[3-hydroxy-2-(2-hydroxyethyl)but-1-enyl]phenyl]propanoate
CID 139712079
methyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-3-methylbutanoate
CID 43404147
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
CID 58973658
acetyloxymethyl 2-(5-prop-2-enylfuran-2-yl)propanoate
CID 58973667
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
methyl 2-(3-oxo-1,2-oxazol-5-yl)propanoate
CID 131330518
methyl 2,2-dimethylpropanoate;styrene
CID 144999518
methyl (2R,3R)-3-hydroxy-2-[(5-methylfuran-2-yl)methylamino]butanoate
CID 99793360

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethenylfuran-2-yl)propanoate?
The IUPAC name of methyl 2-(5-ethenylfuran-2-yl)propanoate (CID 58973597) is methyl 2-(5-ethenylfuran-2-yl)propanoate.
What is the SMILES notation for methyl 2-(5-ethenylfuran-2-yl)propanoate?
The canonical SMILES for methyl 2-(5-ethenylfuran-2-yl)propanoate is C=Cc1ccc(C(C)C(=O)OC)o1.
What is the InChIKey of methyl 2-(5-ethenylfuran-2-yl)propanoate?
The InChIKey is KJKPIVDZBQTDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-4-8-5-6-9(13-8)7(2)10(11)12-3/h4-7H,1H2,2-3H3.
What are the key properties of methyl 2-(5-ethenylfuran-2-yl)propanoate?
methyl 2-(5-ethenylfuran-2-yl)propanoate has a molecular weight of 180.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethenylfuran-2-yl)propanoate is sourced from PubChem (CID 58973597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).